tert-butyl 4-[(3S)-3-(2-methylpropyl)-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3S)-3-(2-methylpropyl)-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3S)-3-isobutyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-3-(2-methylpropyl)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3S)-3-(2-methylpropyl)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-3-isobutyl-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC2=C(C=CC=C2N3CCN(CC3)C(=O)OC(C)(C)C)C(=N1)C4=CC=CC=C4

Isomeric SMILES

CC(C)C[C@H]1C(=O)NC2=C(C=CC=C2N3CCN(CC3)C(=O)OC(C)(C)C)C(=N1)C4=CC=CC=C4

InChI

InChI=1S/C28H36N4O3/c1-19(2)18-22-26(33)30-25-21(24(29-22)20-10-7-6-8-11-20)12-9-13-23(25)31-14-16-32(17-15-31)27(34)35-28(3,4)5/h6-13,19,22H,14-18H2,1-5H3,(H,30,33)/t22-/m0/s1